ethyl 2-[4-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-5-bromanyl-2-ethoxy-phenoxy]ethanoate

Systemtic Name: ethyl 2-[4-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-5-bromanyl-2-ethoxy-phenoxy]ethanoate Openeye Name: ethyl 2-[5-bromo-4-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-ethoxy-phenoxy]acetate CAS Name: 2-[5-bromo-4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-ethoxyphenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-bromo-4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-ethoxyphenoxy]acetate Traditional Name: 2-[5-bromo-4-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-ethoxy-phenoxy]acetic acid ethyl ester Formula: C17H17BrN2O6S MolecularWeight: 457.29568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C=C2C(=O)NC(=S)NC2=O)Br)OCC(=O)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C=C2C(=O)NC(=S)NC2=O)Br)OCC(=O)OCC

InChI

InChI=1S/C17H17BrN2O6S/c1-3-24-12-6-9(5-10-15(22)19-17(27)20-16(10)23)11(18)7-13(12)26-8-14(21)25-4-2/h5-7H,3-4,8H2,1-2H3,(H2,19,20,22,23,27)